COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK874225
Chemical Name: 3-{5-methoxy-2-[(1Z)-2-(methylsulfanyl)but-1-en-1-yl]thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl}propane-1-sulfonate
Smiles: CC/C(=C/c1sc2c([n+]1CCCS(=O)(=O)[O-])c1sccc1c(c2)OC)/SC

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Molecular Weight: 443.63
Empirical Formula: C18H21NO4S4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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